2-(ethylamino)-3,3,3-trifluoropropan-1-ol

C5H10F3NO — CID 83815516

IUPAC2-(ethylamino)-3,3,3-trifluoropropan-1-ol
SMILESCCNC(CO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-9-4(3-10)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyXDXFIBMVCQKMPG-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.52
Rot. Bonds3

About 2-(ethylamino)-3,3,3-trifluoropropan-1-ol

2-(ethylamino)-3,3,3-trifluoropropan-1-ol (PubChem CID 83815516) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(ethylamino)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3,3,3-trifluoropropan-1-ol
PubChem CID83815516
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2-(ethylamino)-3,3,3-trifluoropropan-1-ol
SMILESCCNC(CO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-9-4(3-10)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyXDXFIBMVCQKMPG-UHFFFAOYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-(2-hydroxyethylamino)propan-1-ol
CID 138511068
N-ethyl-1,1,1-trifluoroheptan-2-amine
CID 66204149
3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide
CID 88589073
N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 121358026
ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
CID 157037411
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine
CID 103311641
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552
N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
CID 66468597
N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine
CID 66447078
2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol
CID 82957714
1-(ethylamino)propane-1,2,3-triol
CID 163812588
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-(ethylamino)-3,3,3-trifluoropropan-1-ol (CID 83815516) is 2-(ethylamino)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3,3,3-trifluoropropan-1-ol is CCNC(CO)C(F)(F)F.
What is the InChIKey of 2-(ethylamino)-3,3,3-trifluoropropan-1-ol?
The InChIKey is XDXFIBMVCQKMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-9-4(3-10)5(6,7)8/h4,9-10H,2-3H2,1H3.
What are the key properties of 2-(ethylamino)-3,3,3-trifluoropropan-1-ol?
2-(ethylamino)-3,3,3-trifluoropropan-1-ol has a molecular weight of 157.13 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 83815516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).